(2S)-2-benzamido-3-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]propanoic acid

Systemtic Name: (2S)-2-benzamido-3-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]propanoic acid Openeye Name: (2S)-2-benzamido-3-[4-[3-(2-pyridylamino)propoxy]phenyl]propanoic acid CAS Name: (2S)-2-benzamido-3-[4-[3-(2-pyridinylamino)propoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-benzamido-3-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]propanoic acid Traditional Name: (2S)-2-benzamido-3-[4-[3-(2-pyridylamino)propoxy]phenyl]propionic acid Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)OCCCNC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)OCCCNC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C24H25N3O4/c28-23(19-7-2-1-3-8-19)27-21(24(29)30)17-18-10-12-20(13-11-18)31-16-6-15-26-22-9-4-5-14-25-22/h1-5,7-14,21H,6,15-17H2,(H,25,26)(H,27,28)(H,29,30)/t21-/m0/s1